USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot 125:sc= 0.151 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.21 K(o=-4.1,f=-6.8!) USER MOD Set 2.1: A 12 CYS SG : rot -165:sc= -1.86! USER MOD Set 2.2: A 17 CYS SG : rot 131:sc= -0.682 USER MOD Set 2.3: A 19 THR OG1 : rot 162:sc= 0.664 USER MOD Set 2.4: A 60 CYS SG : rot 62:sc= -1.82 USER MOD Set 2.5: A 63 HIS : no HE2:sc= 0.00285 X(o=-3.7,f=-3.9) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.469 F(o=-3.6!,f=-0.47) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0499 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.346 F(o=-0.97,f=-0.35) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 150:sc= 0.0414 USER MOD Single : A 61 SER OG : rot 103:sc= 1.35 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.692 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.653 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0286 (180deg=-0.197) USER MOD Single : A 80 MET CE :methyl -164:sc= -0.21 (180deg=-0.829) USER MOD Single : A 85 THR OG1 : rot -119:sc= -0.707 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -5.896 2.370 32.321 1.00 0.00 N ATOM 112 CA ASN A 11 -6.096 1.628 33.560 1.00 0.00 C ATOM 113 C ASN A 11 -4.843 0.840 33.932 1.00 0.00 C ATOM 114 O ASN A 11 -3.940 0.667 33.113 1.00 0.00 O ATOM 115 CB ASN A 11 -7.287 0.677 33.423 1.00 0.00 C ATOM 116 CG ASN A 11 -7.477 -0.193 34.651 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.477 0.431 35.823 1.00 0.00 O flip ATOM 118 ND2 ASN A 11 -7.623 -1.411 34.546 1.00 0.00 N flip ATOM 0 HA ASN A 11 -6.301 2.346 34.354 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.193 1.257 33.248 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.142 0.041 32.550 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.616 -1.848 33.624 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.751 -1.983 35.381 1.00 0.00 H new ATOM 125 N CYS A 12 -4.795 0.366 35.172 1.00 0.00 N ATOM 126 CA CYS A 12 -3.654 -0.404 35.653 1.00 0.00 C ATOM 127 C CYS A 12 -3.992 -1.890 35.727 1.00 0.00 C ATOM 128 O CYS A 12 -5.060 -2.271 36.205 1.00 0.00 O ATOM 129 CB CYS A 12 -3.217 0.100 37.030 1.00 0.00 C ATOM 130 SG CYS A 12 -1.961 -0.942 37.839 1.00 0.00 S ATOM 0 H CYS A 12 -5.533 0.502 35.863 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.834 -0.271 34.947 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.823 1.111 36.927 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.092 0.163 37.676 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.887 -0.633 39.100 1.00 0.00 H new ATOM 135 N ALA A 13 -3.074 -2.724 35.251 1.00 0.00 N ATOM 136 CA ALA A 13 -3.273 -4.168 35.265 1.00 0.00 C ATOM 137 C ALA A 13 -3.237 -4.713 36.688 1.00 0.00 C ATOM 138 O ALA A 13 -3.985 -5.629 37.031 1.00 0.00 O ATOM 139 CB ALA A 13 -2.219 -4.854 34.408 1.00 0.00 C ATOM 0 H ALA A 13 -2.185 -2.425 34.851 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.258 -4.379 34.848 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.379 -5.932 34.427 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.294 -4.494 33.382 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.227 -4.628 34.800 1.00 0.00 H new ATOM 145 N ALA A 14 -2.364 -4.145 37.513 1.00 0.00 N ATOM 146 CA ALA A 14 -2.232 -4.574 38.900 1.00 0.00 C ATOM 147 C ALA A 14 -3.598 -4.846 39.522 1.00 0.00 C ATOM 148 O ALA A 14 -4.614 -4.327 39.062 1.00 0.00 O ATOM 149 CB ALA A 14 -1.481 -3.526 39.708 1.00 0.00 C ATOM 0 H ALA A 14 -1.737 -3.386 37.245 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.663 -5.504 38.915 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.390 -3.860 40.742 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.487 -3.383 39.284 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.027 -2.583 39.678 1.00 0.00 H new ATOM 155 N ALA A 15 -3.613 -5.663 40.570 1.00 0.00 N ATOM 156 CA ALA A 15 -4.853 -6.002 41.256 1.00 0.00 C ATOM 157 C ALA A 15 -5.028 -5.168 42.521 1.00 0.00 C ATOM 158 O ALA A 15 -4.056 -4.846 43.202 1.00 0.00 O ATOM 159 CB ALA A 15 -4.881 -7.486 41.593 1.00 0.00 C ATOM 0 H ALA A 15 -2.780 -6.102 40.962 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.682 -5.776 40.586 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.813 -7.725 42.105 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.812 -8.069 40.675 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.038 -7.728 42.241 1.00 0.00 H new ATOM 165 N GLY A 16 -6.274 -4.820 42.828 1.00 0.00 N ATOM 166 CA GLY A 16 -6.552 -4.025 44.009 1.00 0.00 C ATOM 167 C GLY A 16 -5.917 -2.651 43.946 1.00 0.00 C ATOM 168 O GLY A 16 -5.579 -2.067 44.977 1.00 0.00 O ATOM 0 H GLY A 16 -7.095 -5.075 42.280 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.630 -3.918 44.126 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.186 -4.551 44.891 1.00 0.00 H new ATOM 172 N CYS A 17 -5.750 -2.132 42.734 1.00 0.00 N ATOM 173 CA CYS A 17 -5.149 -0.819 42.540 1.00 0.00 C ATOM 174 C CYS A 17 -6.213 0.224 42.211 1.00 0.00 C ATOM 175 O CYS A 17 -7.307 -0.112 41.757 1.00 0.00 O ATOM 176 CB CYS A 17 -4.108 -0.872 41.419 1.00 0.00 C ATOM 177 SG CYS A 17 -3.304 0.726 41.075 1.00 0.00 S ATOM 0 H CYS A 17 -6.023 -2.602 41.871 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.659 -0.531 43.470 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.343 -1.602 41.682 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.589 -1.228 40.508 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.015 0.564 41.037 1.00 0.00 H new ATOM 182 N ALA A 18 -5.885 1.491 42.443 1.00 0.00 N ATOM 183 CA ALA A 18 -6.811 2.582 42.170 1.00 0.00 C ATOM 184 C ALA A 18 -6.127 3.699 41.389 1.00 0.00 C ATOM 185 O ALA A 18 -6.186 4.868 41.774 1.00 0.00 O ATOM 186 CB ALA A 18 -7.389 3.122 43.470 1.00 0.00 C ATOM 0 H ALA A 18 -4.984 1.787 42.820 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.624 2.191 41.559 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.079 3.937 43.251 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.921 2.326 43.990 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.581 3.491 44.102 1.00 0.00 H new ATOM 192 N THR A 19 -5.478 3.333 40.288 1.00 0.00 N ATOM 193 CA THR A 19 -4.781 4.304 39.453 1.00 0.00 C ATOM 194 C THR A 19 -5.412 4.391 38.068 1.00 0.00 C ATOM 195 O THR A 19 -5.787 3.376 37.480 1.00 0.00 O ATOM 196 CB THR A 19 -3.290 3.949 39.304 1.00 0.00 C ATOM 197 OG1 THR A 19 -2.639 4.026 40.577 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.606 4.888 38.322 1.00 0.00 C ATOM 0 H THR A 19 -5.420 2.371 39.954 1.00 0.00 H new ATOM 0 HA THR A 19 -4.869 5.270 39.951 1.00 0.00 H new ATOM 0 HB THR A 19 -3.218 2.931 38.920 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.796 3.528 40.544 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.554 4.618 38.233 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.085 4.806 37.346 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.688 5.914 38.682 1.00 0.00 H new ATOM 206 N THR A 20 -5.526 5.610 37.550 1.00 0.00 N ATOM 207 CA THR A 20 -6.112 5.829 36.233 1.00 0.00 C ATOM 208 C THR A 20 -5.866 7.255 35.753 1.00 0.00 C ATOM 209 O THR A 20 -5.296 7.470 34.682 1.00 0.00 O ATOM 210 CB THR A 20 -7.628 5.556 36.240 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.118 5.552 37.586 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.940 4.223 35.577 1.00 0.00 C ATOM 0 H THR A 20 -5.220 6.461 38.022 1.00 0.00 H new ATOM 0 HA THR A 20 -5.628 5.130 35.551 1.00 0.00 H new ATOM 0 HB THR A 20 -8.121 6.348 35.677 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.083 5.379 37.582 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.016 4.051 35.594 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.591 4.240 34.544 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.436 3.421 36.117 1.00 0.00 H new ATOM 220 N TYR A 21 -6.297 8.225 36.550 1.00 0.00 N ATOM 221 CA TYR A 21 -6.125 9.631 36.204 1.00 0.00 C ATOM 222 C TYR A 21 -6.775 10.533 37.250 1.00 0.00 C ATOM 223 O TYR A 21 -7.937 10.914 37.121 1.00 0.00 O ATOM 224 CB TYR A 21 -6.724 9.916 34.826 1.00 0.00 C ATOM 225 CG TYR A 21 -6.852 11.391 34.515 1.00 0.00 C ATOM 226 CD1 TYR A 21 -5.980 12.317 35.075 1.00 0.00 C ATOM 227 CD2 TYR A 21 -7.844 11.857 33.661 1.00 0.00 C ATOM 228 CE1 TYR A 21 -6.093 13.665 34.793 1.00 0.00 C ATOM 229 CE2 TYR A 21 -7.963 13.203 33.373 1.00 0.00 C ATOM 230 CZ TYR A 21 -7.086 14.103 33.942 1.00 0.00 C ATOM 231 OH TYR A 21 -7.203 15.444 33.659 1.00 0.00 O ATOM 0 H TYR A 21 -6.768 8.064 37.440 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.056 9.845 36.179 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.102 9.445 34.064 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.709 9.453 34.764 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.201 11.977 35.742 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.533 11.155 33.215 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.407 14.372 35.237 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.739 13.549 32.706 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.952 15.584 33.043 1.00 0.00 H new ATOM 241 N ASN A 22 -6.014 10.870 38.286 1.00 0.00 N ATOM 242 CA ASN A 22 -6.514 11.727 39.355 1.00 0.00 C ATOM 243 C ASN A 22 -6.273 13.198 39.030 1.00 0.00 C ATOM 244 O ASN A 22 -7.133 13.868 38.458 1.00 0.00 O ATOM 245 CB ASN A 22 -5.840 11.369 40.681 1.00 0.00 C ATOM 246 CG ASN A 22 -6.598 10.301 41.445 1.00 0.00 C ATOM 247 OD1 ASN A 22 -7.464 10.605 42.266 1.00 0.00 O ATOM 248 ND2 ASN A 22 -6.276 9.041 41.178 1.00 0.00 N ATOM 0 H ASN A 22 -5.049 10.563 38.408 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.588 11.564 39.445 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.825 11.022 40.487 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.759 12.264 41.297 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.753 8.279 41.661 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.552 8.834 40.490 1.00 0.00 H new ATOM 313 N ASN A 26 1.654 11.792 39.724 1.00 0.00 N ATOM 314 CA ASN A 26 2.786 11.911 38.813 1.00 0.00 C ATOM 315 C ASN A 26 3.356 10.538 38.470 1.00 0.00 C ATOM 316 O ASN A 26 4.493 10.424 38.011 1.00 0.00 O ATOM 317 CB ASN A 26 3.876 12.787 39.434 1.00 0.00 C ATOM 318 CG ASN A 26 4.008 12.573 40.929 1.00 0.00 C ATOM 319 OD1 ASN A 26 3.035 13.067 41.686 1.00 0.00 O flip ATOM 320 ND2 ASN A 26 4.974 11.970 41.398 1.00 0.00 N flip ATOM 0 HA ASN A 26 2.433 12.378 37.893 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.830 12.571 38.953 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.651 13.835 39.238 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.699 11.607 40.778 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.049 11.833 42.406 1.00 0.00 H new ATOM 327 N ILE A 27 2.559 9.500 38.697 1.00 0.00 N ATOM 328 CA ILE A 27 2.983 8.135 38.410 1.00 0.00 C ATOM 329 C ILE A 27 3.258 7.945 36.923 1.00 0.00 C ATOM 330 O ILE A 27 2.579 8.526 36.076 1.00 0.00 O ATOM 331 CB ILE A 27 1.924 7.110 38.859 1.00 0.00 C ATOM 332 CG1 ILE A 27 2.125 6.748 40.332 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.989 5.865 37.988 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.895 6.157 40.983 1.00 0.00 C ATOM 0 H ILE A 27 1.616 9.578 39.079 1.00 0.00 H new ATOM 0 HA ILE A 27 3.902 7.966 38.971 1.00 0.00 H new ATOM 0 HB ILE A 27 0.936 7.557 38.746 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.947 6.036 40.414 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.422 7.642 40.880 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.235 5.150 38.318 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.801 6.137 36.949 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.978 5.414 38.072 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.111 5.925 42.026 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.076 6.875 40.933 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.609 5.244 40.460 1.00 0.00 H new ATOM 346 N SER A 28 4.258 7.127 36.611 1.00 0.00 N ATOM 347 CA SER A 28 4.625 6.862 35.225 1.00 0.00 C ATOM 348 C SER A 28 4.088 5.508 34.770 1.00 0.00 C ATOM 349 O SER A 28 4.126 4.530 35.516 1.00 0.00 O ATOM 350 CB SER A 28 6.146 6.901 35.061 1.00 0.00 C ATOM 351 OG SER A 28 6.798 6.646 36.293 1.00 0.00 O ATOM 0 H SER A 28 4.829 6.636 37.299 1.00 0.00 H new ATOM 0 HA SER A 28 4.180 7.638 34.603 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.454 6.161 34.323 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.449 7.876 34.681 1.00 0.00 H new ATOM 0 HG SER A 28 7.420 5.897 36.185 1.00 0.00 H new ATOM 357 N PHE A 29 3.588 5.460 33.540 1.00 0.00 N ATOM 358 CA PHE A 29 3.041 4.228 32.984 1.00 0.00 C ATOM 359 C PHE A 29 4.131 3.412 32.295 1.00 0.00 C ATOM 360 O PHE A 29 4.623 3.786 31.230 1.00 0.00 O ATOM 361 CB PHE A 29 1.921 4.544 31.992 1.00 0.00 C ATOM 362 CG PHE A 29 2.403 5.208 30.734 1.00 0.00 C ATOM 363 CD1 PHE A 29 2.618 6.577 30.696 1.00 0.00 C ATOM 364 CD2 PHE A 29 2.643 4.465 29.590 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.061 7.190 29.540 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.087 5.073 28.431 1.00 0.00 C ATOM 367 CZ PHE A 29 3.297 6.438 28.406 1.00 0.00 C ATOM 0 H PHE A 29 3.550 6.260 32.909 1.00 0.00 H new ATOM 0 HA PHE A 29 2.633 3.638 33.805 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.406 3.619 31.731 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.189 5.190 32.477 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.437 7.171 31.580 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.481 3.397 29.604 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.223 8.258 29.523 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.270 4.482 27.546 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.645 6.916 27.502 1.00 0.00 H new ATOM 377 N HIS A 30 4.505 2.295 32.912 1.00 0.00 N ATOM 378 CA HIS A 30 5.537 1.425 32.358 1.00 0.00 C ATOM 379 C HIS A 30 4.955 0.068 31.975 1.00 0.00 C ATOM 380 O HIS A 30 4.670 -0.762 32.839 1.00 0.00 O ATOM 381 CB HIS A 30 6.672 1.241 33.366 1.00 0.00 C ATOM 382 CG HIS A 30 7.402 2.509 33.684 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.591 2.865 33.082 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.105 3.509 34.546 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.994 4.028 33.561 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.109 4.441 34.451 1.00 0.00 N ATOM 0 H HIS A 30 4.109 1.971 33.795 1.00 0.00 H new ATOM 0 HA HIS A 30 5.933 1.897 31.459 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.265 0.825 34.288 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.381 0.512 32.973 1.00 0.00 H new ATOM 0 HD1 HIS A 30 9.082 2.316 32.377 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.239 3.564 35.189 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.894 4.552 33.274 1.00 0.00 H new ATOM 394 N ARG A 31 4.781 -0.151 30.676 1.00 0.00 N ATOM 395 CA ARG A 31 4.232 -1.407 30.180 1.00 0.00 C ATOM 396 C ARG A 31 5.030 -2.596 30.707 1.00 0.00 C ATOM 397 O ARG A 31 5.933 -2.436 31.528 1.00 0.00 O ATOM 398 CB ARG A 31 4.231 -1.418 28.650 1.00 0.00 C ATOM 399 CG ARG A 31 5.615 -1.570 28.041 1.00 0.00 C ATOM 400 CD ARG A 31 6.275 -0.219 27.813 1.00 0.00 C ATOM 401 NE ARG A 31 7.386 -0.305 26.869 1.00 0.00 N ATOM 402 CZ ARG A 31 8.595 -0.747 27.195 1.00 0.00 C ATOM 403 NH1 ARG A 31 8.848 -1.142 28.435 1.00 0.00 N ATOM 404 NH2 ARG A 31 9.554 -0.796 26.280 1.00 0.00 N ATOM 0 H ARG A 31 5.012 0.525 29.948 1.00 0.00 H new ATOM 0 HA ARG A 31 3.206 -1.493 30.539 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.598 -2.234 28.301 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.784 -0.492 28.289 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.239 -2.174 28.699 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.540 -2.104 27.094 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.535 0.487 27.438 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.637 0.173 28.764 1.00 0.00 H new ATOM 0 HE ARG A 31 7.224 -0.009 25.906 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.113 -1.107 29.141 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.778 -1.481 28.683 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.363 -0.494 25.325 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.482 -1.136 26.532 1.00 0.00 H new ATOM 418 N PHE A 32 4.689 -3.789 30.230 1.00 0.00 N ATOM 419 CA PHE A 32 5.373 -5.005 30.654 1.00 0.00 C ATOM 420 C PHE A 32 6.713 -5.153 29.940 1.00 0.00 C ATOM 421 O PHE A 32 6.919 -4.640 28.840 1.00 0.00 O ATOM 422 CB PHE A 32 4.497 -6.229 30.379 1.00 0.00 C ATOM 423 CG PHE A 32 3.350 -6.374 31.339 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.384 -5.386 31.437 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.240 -7.497 32.142 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.327 -5.516 32.319 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.185 -7.632 33.025 1.00 0.00 C ATOM 428 CZ PHE A 32 1.228 -6.640 33.114 1.00 0.00 C ATOM 0 H PHE A 32 3.944 -3.939 29.550 1.00 0.00 H new ATOM 0 HA PHE A 32 5.559 -4.933 31.726 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.105 -6.164 29.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.115 -7.126 30.426 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.457 -4.504 30.818 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.986 -8.275 32.078 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.580 -4.739 32.386 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.109 -8.513 33.645 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.404 -6.744 33.804 1.00 0.00 H new ATOM 438 N PRO A 33 7.647 -5.873 30.579 1.00 0.00 N ATOM 439 CA PRO A 33 8.984 -6.106 30.024 1.00 0.00 C ATOM 440 C PRO A 33 8.956 -7.035 28.816 1.00 0.00 C ATOM 441 O PRO A 33 8.274 -8.061 28.824 1.00 0.00 O ATOM 442 CB PRO A 33 9.740 -6.759 31.184 1.00 0.00 C ATOM 443 CG PRO A 33 8.681 -7.397 32.015 1.00 0.00 C ATOM 444 CD PRO A 33 7.470 -6.514 31.893 1.00 0.00 C ATOM 0 HA PRO A 33 9.442 -5.185 29.663 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.458 -7.496 30.824 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.301 -6.020 31.756 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.465 -8.406 31.664 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.999 -7.482 33.054 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.546 -7.091 31.938 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.426 -5.779 32.696 1.00 0.00 H new ATOM 452 N LEU A 34 9.700 -6.671 27.777 1.00 0.00 N ATOM 453 CA LEU A 34 9.760 -7.473 26.560 1.00 0.00 C ATOM 454 C LEU A 34 10.516 -8.775 26.804 1.00 0.00 C ATOM 455 O LEU A 34 10.500 -9.679 25.968 1.00 0.00 O ATOM 456 CB LEU A 34 10.433 -6.681 25.438 1.00 0.00 C ATOM 457 CG LEU A 34 9.789 -5.341 25.082 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.317 -5.339 25.462 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.521 -4.198 25.770 1.00 0.00 C ATOM 0 H LEU A 34 10.270 -5.826 27.753 1.00 0.00 H new ATOM 0 HA LEU A 34 8.740 -7.717 26.263 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.470 -6.499 25.720 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.451 -7.302 24.542 1.00 0.00 H new ATOM 0 HG LEU A 34 9.865 -5.198 24.004 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.875 -4.377 25.201 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.801 -6.133 24.923 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.218 -5.505 26.535 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.049 -3.252 25.505 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.477 -4.336 26.850 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.562 -4.187 25.448 1.00 0.00 H new ATOM 471 N ASP A 35 11.175 -8.864 27.953 1.00 0.00 N ATOM 472 CA ASP A 35 11.935 -10.058 28.309 1.00 0.00 C ATOM 473 C ASP A 35 11.024 -11.120 28.916 1.00 0.00 C ATOM 474 O ASP A 35 10.069 -10.819 29.632 1.00 0.00 O ATOM 475 CB ASP A 35 13.052 -9.703 29.292 1.00 0.00 C ATOM 476 CG ASP A 35 14.351 -10.417 28.974 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.714 -10.484 27.781 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.004 -10.910 29.918 1.00 0.00 O ATOM 0 H ASP A 35 11.199 -8.124 28.655 1.00 0.00 H new ATOM 0 HA ASP A 35 12.378 -10.462 27.399 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.219 -8.626 29.274 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.737 -9.960 30.303 1.00 0.00 H new ATOM 483 N PRO A 36 11.324 -12.395 28.623 1.00 0.00 N ATOM 484 CA PRO A 36 10.544 -13.528 29.129 1.00 0.00 C ATOM 485 C PRO A 36 10.721 -13.728 30.631 1.00 0.00 C ATOM 486 O PRO A 36 9.780 -14.099 31.333 1.00 0.00 O ATOM 487 CB PRO A 36 11.114 -14.722 28.360 1.00 0.00 C ATOM 488 CG PRO A 36 12.500 -14.313 27.997 1.00 0.00 C ATOM 489 CD PRO A 36 12.448 -12.827 27.776 1.00 0.00 C ATOM 0 HA PRO A 36 9.473 -13.383 28.985 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.115 -15.623 28.973 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.521 -14.941 27.472 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.202 -14.565 28.792 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.837 -14.830 27.098 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.380 -12.344 28.069 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.278 -12.582 26.727 1.00 0.00 H new ATOM 497 N LYS A 37 11.932 -13.481 31.117 1.00 0.00 N ATOM 498 CA LYS A 37 12.232 -13.632 32.536 1.00 0.00 C ATOM 499 C LYS A 37 11.341 -12.728 33.381 1.00 0.00 C ATOM 500 O LYS A 37 10.793 -13.154 34.397 1.00 0.00 O ATOM 501 CB LYS A 37 13.704 -13.310 32.804 1.00 0.00 C ATOM 502 CG LYS A 37 14.648 -14.450 32.465 1.00 0.00 C ATOM 503 CD LYS A 37 15.024 -14.444 30.993 1.00 0.00 C ATOM 504 CE LYS A 37 16.523 -14.277 30.801 1.00 0.00 C ATOM 505 NZ LYS A 37 17.257 -15.553 31.025 1.00 0.00 N ATOM 0 H LYS A 37 12.722 -13.175 30.549 1.00 0.00 H new ATOM 0 HA LYS A 37 12.036 -14.667 32.814 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.986 -12.431 32.224 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.825 -13.050 33.856 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.550 -14.370 33.072 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.178 -15.400 32.717 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.698 -15.375 30.530 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.499 -13.635 30.486 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.722 -13.916 29.792 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.895 -13.518 31.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.276 -15.397 30.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.088 -15.885 31.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.921 -16.270 30.351 1.00 0.00 H new ATOM 519 N ARG A 38 11.199 -11.477 32.953 1.00 0.00 N ATOM 520 CA ARG A 38 10.374 -10.513 33.670 1.00 0.00 C ATOM 521 C ARG A 38 8.916 -10.612 33.230 1.00 0.00 C ATOM 522 O ARG A 38 8.010 -10.687 34.060 1.00 0.00 O ATOM 523 CB ARG A 38 10.893 -9.093 33.437 1.00 0.00 C ATOM 524 CG ARG A 38 12.399 -8.962 33.591 1.00 0.00 C ATOM 525 CD ARG A 38 12.822 -9.074 35.048 1.00 0.00 C ATOM 526 NE ARG A 38 12.894 -10.463 35.492 1.00 0.00 N ATOM 527 CZ ARG A 38 13.595 -10.861 36.548 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.279 -9.980 37.265 1.00 0.00 N ATOM 529 NH2 ARG A 38 13.611 -12.143 36.890 1.00 0.00 N ATOM 0 H ARG A 38 11.645 -11.108 32.113 1.00 0.00 H new ATOM 0 HA ARG A 38 10.431 -10.743 34.734 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.610 -8.772 32.435 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.404 -8.417 34.139 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.894 -9.737 33.007 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.725 -8.003 33.189 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.795 -8.600 35.180 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.115 -8.530 35.674 1.00 0.00 H new ATOM 0 HE ARG A 38 12.378 -11.166 34.963 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.268 -8.993 37.006 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.816 -10.289 38.075 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.085 -12.824 36.342 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.149 -12.448 37.701 1.00 0.00 H new ATOM 543 N ARG A 39 8.698 -10.610 31.919 1.00 0.00 N ATOM 544 CA ARG A 39 7.351 -10.698 31.368 1.00 0.00 C ATOM 545 C ARG A 39 6.482 -11.634 32.203 1.00 0.00 C ATOM 546 O ARG A 39 5.425 -11.242 32.698 1.00 0.00 O ATOM 547 CB ARG A 39 7.399 -11.186 29.919 1.00 0.00 C ATOM 548 CG ARG A 39 6.031 -11.500 29.336 1.00 0.00 C ATOM 549 CD ARG A 39 6.057 -12.776 28.509 1.00 0.00 C ATOM 550 NE ARG A 39 6.637 -12.559 27.186 1.00 0.00 N ATOM 551 CZ ARG A 39 6.417 -13.356 26.147 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.632 -14.418 26.277 1.00 0.00 N ATOM 553 NH2 ARG A 39 6.981 -13.093 24.975 1.00 0.00 N ATOM 0 H ARG A 39 9.437 -10.548 31.219 1.00 0.00 H new ATOM 0 HA ARG A 39 6.910 -9.701 31.393 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.881 -10.426 29.304 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.021 -12.080 29.866 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.305 -11.603 30.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.700 -10.669 28.714 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.631 -13.538 29.036 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.042 -13.159 28.402 1.00 0.00 H new ATOM 0 HE ARG A 39 7.245 -11.751 27.053 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.196 -14.623 27.176 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.464 -15.029 25.478 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.585 -12.277 24.871 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.811 -13.706 24.178 1.00 0.00 H new ATOM 567 N LYS A 40 6.935 -12.874 32.355 1.00 0.00 N ATOM 568 CA LYS A 40 6.201 -13.868 33.129 1.00 0.00 C ATOM 569 C LYS A 40 6.088 -13.444 34.590 1.00 0.00 C ATOM 570 O LYS A 40 5.049 -13.633 35.222 1.00 0.00 O ATOM 571 CB LYS A 40 6.891 -15.230 33.035 1.00 0.00 C ATOM 572 CG LYS A 40 6.919 -15.801 31.627 1.00 0.00 C ATOM 573 CD LYS A 40 8.073 -16.773 31.443 1.00 0.00 C ATOM 574 CE LYS A 40 8.513 -16.846 29.989 1.00 0.00 C ATOM 575 NZ LYS A 40 8.023 -18.085 29.323 1.00 0.00 N ATOM 0 H LYS A 40 7.808 -13.215 31.952 1.00 0.00 H new ATOM 0 HA LYS A 40 5.197 -13.947 32.712 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.914 -15.136 33.401 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.380 -15.933 33.693 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.977 -16.309 31.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.007 -14.989 30.906 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.914 -16.463 32.064 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.773 -17.764 31.784 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.140 -15.973 29.452 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.601 -16.812 29.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.344 -18.097 28.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.399 -18.918 29.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.984 -18.106 29.350 1.00 0.00 H new ATOM 589 N GLU A 41 7.163 -12.868 35.119 1.00 0.00 N ATOM 590 CA GLU A 41 7.183 -12.417 36.506 1.00 0.00 C ATOM 591 C GLU A 41 6.078 -11.397 36.762 1.00 0.00 C ATOM 592 O GLU A 41 5.225 -11.594 37.627 1.00 0.00 O ATOM 593 CB GLU A 41 8.545 -11.808 36.848 1.00 0.00 C ATOM 594 CG GLU A 41 9.534 -12.810 37.417 1.00 0.00 C ATOM 595 CD GLU A 41 8.932 -13.666 38.514 1.00 0.00 C ATOM 596 OE1 GLU A 41 8.197 -13.116 39.361 1.00 0.00 O ATOM 597 OE2 GLU A 41 9.195 -14.887 38.525 1.00 0.00 O ATOM 0 H GLU A 41 8.031 -12.703 34.609 1.00 0.00 H new ATOM 0 HA GLU A 41 7.010 -13.282 37.146 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.970 -11.361 35.949 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.403 -11.002 37.568 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.894 -13.454 36.615 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.399 -12.277 37.811 1.00 0.00 H new ATOM 604 N TRP A 42 6.101 -10.306 36.004 1.00 0.00 N ATOM 605 CA TRP A 42 5.102 -9.254 36.149 1.00 0.00 C ATOM 606 C TRP A 42 3.696 -9.842 36.204 1.00 0.00 C ATOM 607 O TRP A 42 2.892 -9.475 37.060 1.00 0.00 O ATOM 608 CB TRP A 42 5.207 -8.259 34.992 1.00 0.00 C ATOM 609 CG TRP A 42 6.401 -7.359 35.089 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.674 -7.719 35.428 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.432 -5.948 34.847 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.495 -6.617 35.411 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.757 -5.518 35.057 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.471 -5.006 34.472 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.142 -4.189 34.905 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.854 -3.687 34.322 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.179 -3.288 34.537 1.00 0.00 C ATOM 0 H TRP A 42 6.800 -10.127 35.283 1.00 0.00 H new ATOM 0 HA TRP A 42 5.294 -8.732 37.086 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.251 -8.809 34.052 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.303 -7.650 34.963 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.989 -8.722 35.673 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.492 -6.617 35.627 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.447 -5.304 34.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.163 -3.880 35.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.118 -2.951 34.034 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.446 -2.249 34.410 1.00 0.00 H new ATOM 628 N VAL A 43 3.406 -10.757 35.284 1.00 0.00 N ATOM 629 CA VAL A 43 2.097 -11.397 35.229 1.00 0.00 C ATOM 630 C VAL A 43 1.913 -12.373 36.386 1.00 0.00 C ATOM 631 O VAL A 43 0.810 -12.529 36.910 1.00 0.00 O ATOM 632 CB VAL A 43 1.895 -12.149 33.901 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.533 -12.825 33.871 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.055 -11.201 32.722 1.00 0.00 C ATOM 0 H VAL A 43 4.060 -11.071 34.567 1.00 0.00 H new ATOM 0 HA VAL A 43 1.354 -10.603 35.305 1.00 0.00 H new ATOM 0 HB VAL A 43 2.659 -12.922 33.822 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.409 -13.351 32.925 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.462 -13.536 34.694 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.249 -12.073 33.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.909 -11.750 31.792 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.315 -10.404 32.793 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.056 -10.769 32.735 1.00 0.00 H new ATOM 644 N ARG A 44 3.001 -13.026 36.781 1.00 0.00 N ATOM 645 CA ARG A 44 2.960 -13.988 37.876 1.00 0.00 C ATOM 646 C ARG A 44 2.884 -13.275 39.223 1.00 0.00 C ATOM 647 O ARG A 44 2.481 -13.863 40.227 1.00 0.00 O ATOM 648 CB ARG A 44 4.193 -14.892 37.835 1.00 0.00 C ATOM 649 CG ARG A 44 4.724 -15.261 39.210 1.00 0.00 C ATOM 650 CD ARG A 44 3.739 -16.133 39.972 1.00 0.00 C ATOM 651 NE ARG A 44 4.220 -17.504 40.117 1.00 0.00 N ATOM 652 CZ ARG A 44 3.469 -18.503 40.567 1.00 0.00 C ATOM 653 NH1 ARG A 44 2.208 -18.285 40.914 1.00 0.00 N ATOM 654 NH2 ARG A 44 3.979 -19.724 40.671 1.00 0.00 N ATOM 0 H ARG A 44 3.922 -12.906 36.359 1.00 0.00 H new ATOM 0 HA ARG A 44 2.065 -14.599 37.756 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.946 -15.805 37.293 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.981 -14.392 37.273 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.673 -15.788 39.106 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.924 -14.353 39.779 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.563 -15.704 40.959 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.781 -16.138 39.451 1.00 0.00 H new ATOM 0 HE ARG A 44 5.186 -17.706 39.859 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.812 -17.348 40.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.634 -19.054 41.259 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.949 -19.896 40.405 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.401 -20.490 41.017 1.00 0.00 H new ATOM 668 N LEU A 45 3.273 -12.005 39.237 1.00 0.00 N ATOM 669 CA LEU A 45 3.249 -11.211 40.460 1.00 0.00 C ATOM 670 C LEU A 45 1.944 -10.430 40.578 1.00 0.00 C ATOM 671 O LEU A 45 1.327 -10.388 41.642 1.00 0.00 O ATOM 672 CB LEU A 45 4.437 -10.247 40.489 1.00 0.00 C ATOM 673 CG LEU A 45 5.797 -10.868 40.810 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.910 -10.114 40.099 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.036 -10.882 42.313 1.00 0.00 C ATOM 0 H LEU A 45 3.609 -11.503 38.415 1.00 0.00 H new ATOM 0 HA LEU A 45 3.321 -11.893 41.307 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.504 -9.756 39.518 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.231 -9.471 41.226 1.00 0.00 H new ATOM 0 HG LEU A 45 5.798 -11.898 40.452 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.870 -10.571 40.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.748 -10.156 39.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.911 -9.074 40.425 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.009 -11.327 42.523 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.015 -9.861 42.694 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.256 -11.468 42.800 1.00 0.00 H new ATOM 687 N VAL A 46 1.527 -9.814 39.476 1.00 0.00 N ATOM 688 CA VAL A 46 0.293 -9.038 39.454 1.00 0.00 C ATOM 689 C VAL A 46 -0.888 -9.869 39.943 1.00 0.00 C ATOM 690 O VAL A 46 -1.940 -9.329 40.284 1.00 0.00 O ATOM 691 CB VAL A 46 -0.014 -8.512 38.039 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.032 -9.655 37.036 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.336 -7.760 38.026 1.00 0.00 C ATOM 0 H VAL A 46 2.026 -9.838 38.587 1.00 0.00 H new ATOM 0 HA VAL A 46 0.440 -8.191 40.125 1.00 0.00 H new ATOM 0 HB VAL A 46 0.776 -7.819 37.749 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.250 -9.264 36.042 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.941 -10.146 37.027 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.799 -10.375 37.319 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.537 -7.395 37.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.138 -8.429 38.337 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.281 -6.916 38.713 1.00 0.00 H new ATOM 703 N ARG A 47 -0.705 -11.185 39.974 1.00 0.00 N ATOM 704 CA ARG A 47 -1.756 -12.091 40.420 1.00 0.00 C ATOM 705 C ARG A 47 -3.059 -11.824 39.673 1.00 0.00 C ATOM 706 O ARG A 47 -4.000 -11.255 40.228 1.00 0.00 O ATOM 707 CB ARG A 47 -1.981 -11.944 41.926 1.00 0.00 C ATOM 708 CG ARG A 47 -1.108 -12.863 42.765 1.00 0.00 C ATOM 709 CD ARG A 47 -1.922 -13.978 43.401 1.00 0.00 C ATOM 710 NE ARG A 47 -2.734 -14.692 42.418 1.00 0.00 N ATOM 711 CZ ARG A 47 -3.291 -15.875 42.647 1.00 0.00 C ATOM 712 NH1 ARG A 47 -3.127 -16.475 43.818 1.00 0.00 N ATOM 713 NH2 ARG A 47 -4.016 -16.462 41.702 1.00 0.00 N ATOM 0 H ARG A 47 0.161 -11.647 39.696 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.436 -13.110 40.204 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.788 -10.911 42.214 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.028 -12.147 42.150 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.325 -13.293 42.140 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.612 -12.284 43.544 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.251 -14.680 43.896 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.570 -13.560 44.171 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.881 -14.258 41.507 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.571 -16.028 44.547 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.557 -17.384 43.990 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.145 -16.004 40.800 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.444 -17.371 41.878 1.00 0.00 H new ATOM 727 N ARG A 48 -3.107 -12.237 38.410 1.00 0.00 N ATOM 728 CA ARG A 48 -4.293 -12.040 37.586 1.00 0.00 C ATOM 729 C ARG A 48 -4.410 -13.136 36.531 1.00 0.00 C ATOM 730 O ARG A 48 -4.174 -12.901 35.346 1.00 0.00 O ATOM 731 CB ARG A 48 -4.248 -10.669 36.909 1.00 0.00 C ATOM 732 CG ARG A 48 -4.807 -9.546 37.768 1.00 0.00 C ATOM 733 CD ARG A 48 -5.264 -8.370 36.920 1.00 0.00 C ATOM 734 NE ARG A 48 -4.371 -8.130 35.789 1.00 0.00 N ATOM 735 CZ ARG A 48 -4.653 -7.298 34.794 1.00 0.00 C ATOM 736 NH1 ARG A 48 -5.798 -6.629 34.789 1.00 0.00 N ATOM 737 NH2 ARG A 48 -3.789 -7.133 33.800 1.00 0.00 N ATOM 0 H ARG A 48 -2.338 -12.710 37.936 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.167 -12.089 38.235 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.216 -10.436 36.648 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.810 -10.715 35.976 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.645 -9.919 38.356 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.046 -9.213 38.474 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.272 -8.559 36.552 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.313 -7.474 37.539 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.482 -8.629 35.763 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.465 -6.753 35.551 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.012 -5.990 34.023 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.907 -7.646 33.800 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.007 -6.493 33.036 1.00 0.00 H new ATOM 751 N LYS A 49 -4.776 -14.336 36.971 1.00 0.00 N ATOM 752 CA LYS A 49 -4.926 -15.469 36.066 1.00 0.00 C ATOM 753 C LYS A 49 -3.709 -15.604 35.156 1.00 0.00 C ATOM 754 O LYS A 49 -2.699 -14.930 35.352 1.00 0.00 O ATOM 755 CB LYS A 49 -6.193 -15.311 35.222 1.00 0.00 C ATOM 756 CG LYS A 49 -7.206 -14.350 35.820 1.00 0.00 C ATOM 757 CD LYS A 49 -8.607 -14.622 35.299 1.00 0.00 C ATOM 758 CE LYS A 49 -9.661 -14.330 36.356 1.00 0.00 C ATOM 759 NZ LYS A 49 -10.837 -15.235 36.232 1.00 0.00 N ATOM 0 H LYS A 49 -4.974 -14.548 37.949 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.009 -16.374 36.668 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.916 -14.961 34.228 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.661 -16.288 35.097 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.197 -14.440 36.906 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.921 -13.325 35.582 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.794 -14.008 34.418 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.684 -15.663 34.985 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.221 -14.440 37.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.989 -13.294 36.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.532 -15.004 36.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.272 -15.112 35.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.529 -16.222 36.344 1.00 0.00 H new ATOM 773 N ASN A 50 -3.815 -16.477 34.160 1.00 0.00 N ATOM 774 CA ASN A 50 -2.723 -16.699 33.219 1.00 0.00 C ATOM 775 C ASN A 50 -2.768 -15.681 32.083 1.00 0.00 C ATOM 776 O ASN A 50 -2.276 -15.938 30.984 1.00 0.00 O ATOM 777 CB ASN A 50 -2.792 -18.117 32.650 1.00 0.00 C ATOM 778 CG ASN A 50 -1.492 -18.541 31.993 1.00 0.00 C ATOM 779 OD1 ASN A 50 -0.430 -17.988 32.279 1.00 0.00 O ATOM 780 ND2 ASN A 50 -1.571 -19.527 31.107 1.00 0.00 N ATOM 0 H ASN A 50 -4.646 -17.042 33.983 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.783 -16.576 33.757 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.036 -18.815 33.451 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.600 -18.174 31.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.730 -19.855 30.633 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.473 -19.956 30.901 1.00 0.00 H new ATOM 787 N PHE A 51 -3.362 -14.524 32.357 1.00 0.00 N ATOM 788 CA PHE A 51 -3.473 -13.466 31.359 1.00 0.00 C ATOM 789 C PHE A 51 -2.108 -13.137 30.762 1.00 0.00 C ATOM 790 O PHE A 51 -1.070 -13.486 31.326 1.00 0.00 O ATOM 791 CB PHE A 51 -4.087 -12.210 31.981 1.00 0.00 C ATOM 792 CG PHE A 51 -3.113 -11.075 32.123 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.852 -10.232 31.056 1.00 0.00 C ATOM 794 CD2 PHE A 51 -2.460 -10.852 33.325 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.957 -9.186 31.184 1.00 0.00 C ATOM 796 CE2 PHE A 51 -1.565 -9.808 33.459 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.312 -8.974 32.387 1.00 0.00 C ATOM 0 H PHE A 51 -3.774 -14.295 33.262 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.124 -13.821 30.560 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.927 -11.883 31.367 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.488 -12.459 32.963 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.353 -10.393 30.113 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.653 -11.501 34.166 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.762 -8.535 30.344 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.063 -9.644 34.401 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.612 -8.158 32.489 1.00 0.00 H new ATOM 807 N VAL A 52 -2.116 -12.463 29.616 1.00 0.00 N ATOM 808 CA VAL A 52 -0.880 -12.085 28.942 1.00 0.00 C ATOM 809 C VAL A 52 -0.932 -10.636 28.470 1.00 0.00 C ATOM 810 O VAL A 52 -1.979 -10.123 28.075 1.00 0.00 O ATOM 811 CB VAL A 52 -0.598 -12.997 27.733 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.253 -12.167 26.507 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.519 -13.978 28.055 1.00 0.00 C ATOM 0 H VAL A 52 -2.966 -12.168 29.135 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.076 -12.199 29.669 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.500 -13.568 27.513 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.057 -12.829 25.663 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.088 -11.509 26.266 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.634 -11.567 26.711 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.705 -14.614 27.190 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.427 -13.427 28.302 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.227 -14.596 28.904 1.00 0.00 H new ATOM 823 N PRO A 53 0.225 -9.959 28.512 1.00 0.00 N ATOM 824 CA PRO A 53 0.339 -8.559 28.091 1.00 0.00 C ATOM 825 C PRO A 53 0.182 -8.392 26.583 1.00 0.00 C ATOM 826 O PRO A 53 1.050 -8.795 25.811 1.00 0.00 O ATOM 827 CB PRO A 53 1.753 -8.171 28.527 1.00 0.00 C ATOM 828 CG PRO A 53 2.506 -9.456 28.560 1.00 0.00 C ATOM 829 CD PRO A 53 1.512 -10.507 28.972 1.00 0.00 C ATOM 0 HA PRO A 53 -0.442 -7.937 28.529 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.203 -7.466 27.828 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.748 -7.690 29.505 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.933 -9.684 27.583 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.335 -9.405 29.266 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.728 -11.469 28.507 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.519 -10.666 30.050 1.00 0.00 H new ATOM 837 N GLY A 54 -0.933 -7.795 26.171 1.00 0.00 N ATOM 838 CA GLY A 54 -1.182 -7.586 24.757 1.00 0.00 C ATOM 839 C GLY A 54 -1.520 -6.143 24.435 1.00 0.00 C ATOM 840 O GLY A 54 -1.205 -5.651 23.352 1.00 0.00 O ATOM 0 H GLY A 54 -1.667 -7.453 26.791 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.302 -7.886 24.188 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.002 -8.228 24.437 1.00 0.00 H new ATOM 844 N LYS A 55 -2.163 -5.464 25.378 1.00 0.00 N ATOM 845 CA LYS A 55 -2.545 -4.069 25.191 1.00 0.00 C ATOM 846 C LYS A 55 -3.111 -3.482 26.480 1.00 0.00 C ATOM 847 O LYS A 55 -3.786 -4.172 27.244 1.00 0.00 O ATOM 848 CB LYS A 55 -3.576 -3.947 24.067 1.00 0.00 C ATOM 849 CG LYS A 55 -3.032 -3.287 22.812 1.00 0.00 C ATOM 850 CD LYS A 55 -4.117 -2.526 22.068 1.00 0.00 C ATOM 851 CE LYS A 55 -5.179 -3.465 21.517 1.00 0.00 C ATOM 852 NZ LYS A 55 -4.903 -3.846 20.104 1.00 0.00 N ATOM 0 H LYS A 55 -2.431 -5.857 26.280 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.651 -3.508 24.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.945 -4.941 23.814 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.429 -3.373 24.429 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.225 -2.604 23.079 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.604 -4.046 22.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.582 -1.804 22.739 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.671 -1.960 21.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.225 -4.363 22.133 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.156 -2.985 21.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.649 -4.486 19.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.884 -2.992 19.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.982 -4.327 20.047 1.00 0.00 H new ATOM 866 N HIS A 56 -2.832 -2.203 26.715 1.00 0.00 N ATOM 867 CA HIS A 56 -3.315 -1.523 27.911 1.00 0.00 C ATOM 868 C HIS A 56 -2.749 -2.170 29.171 1.00 0.00 C ATOM 869 O HIS A 56 -3.253 -1.955 30.274 1.00 0.00 O ATOM 870 CB HIS A 56 -4.844 -1.547 27.955 1.00 0.00 C ATOM 871 CG HIS A 56 -5.487 -1.060 26.693 1.00 0.00 C ATOM 872 ND1 HIS A 56 -4.916 -0.105 25.878 1.00 0.00 N ATOM 873 CD2 HIS A 56 -6.658 -1.401 26.107 1.00 0.00 C ATOM 874 CE1 HIS A 56 -5.709 0.120 24.846 1.00 0.00 C ATOM 875 NE2 HIS A 56 -6.773 -0.654 24.961 1.00 0.00 N ATOM 0 H HIS A 56 -2.274 -1.618 26.093 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.976 -0.488 27.871 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.178 -2.566 28.153 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -5.185 -0.932 28.788 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.370 -2.126 26.473 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.520 0.818 24.044 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.553 -0.691 24.305 1.00 0.00 H new ATOM 883 N THR A 57 -1.697 -2.966 29.000 1.00 0.00 N ATOM 884 CA THR A 57 -1.063 -3.646 30.122 1.00 0.00 C ATOM 885 C THR A 57 0.093 -2.825 30.681 1.00 0.00 C ATOM 886 O THR A 57 1.184 -2.803 30.112 1.00 0.00 O ATOM 887 CB THR A 57 -0.540 -5.036 29.714 1.00 0.00 C ATOM 888 OG1 THR A 57 -0.724 -5.235 28.308 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.258 -6.133 30.484 1.00 0.00 C ATOM 0 H THR A 57 -1.267 -3.155 28.095 1.00 0.00 H new ATOM 0 HA THR A 57 -1.826 -3.764 30.891 1.00 0.00 H new ATOM 0 HB THR A 57 0.523 -5.084 29.952 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.021 -5.826 27.967 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.871 -7.105 30.178 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.092 -5.996 31.553 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.327 -6.085 30.274 1.00 0.00 H new ATOM 897 N PHE A 58 -0.153 -2.150 31.800 1.00 0.00 N ATOM 898 CA PHE A 58 0.868 -1.327 32.436 1.00 0.00 C ATOM 899 C PHE A 58 0.746 -1.385 33.956 1.00 0.00 C ATOM 900 O PHE A 58 -0.299 -1.759 34.492 1.00 0.00 O ATOM 901 CB PHE A 58 0.754 0.123 31.960 1.00 0.00 C ATOM 902 CG PHE A 58 0.379 1.085 33.051 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.332 1.542 33.947 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.926 1.531 33.180 1.00 0.00 C ATOM 905 CE1 PHE A 58 0.991 2.428 34.952 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.273 2.417 34.183 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.314 2.865 35.070 1.00 0.00 C ATOM 0 H PHE A 58 -1.051 -2.157 32.284 1.00 0.00 H new ATOM 0 HA PHE A 58 1.844 -1.721 32.152 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.706 0.431 31.527 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.009 0.179 31.166 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.353 1.202 33.859 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.680 1.183 32.490 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.743 2.778 35.643 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.294 2.759 34.273 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.584 3.556 35.855 1.00 0.00 H new ATOM 917 N LEU A 59 1.819 -1.015 34.645 1.00 0.00 N ATOM 918 CA LEU A 59 1.834 -1.025 36.103 1.00 0.00 C ATOM 919 C LEU A 59 2.328 0.309 36.653 1.00 0.00 C ATOM 920 O LEU A 59 3.209 0.944 36.072 1.00 0.00 O ATOM 921 CB LEU A 59 2.721 -2.161 36.616 1.00 0.00 C ATOM 922 CG LEU A 59 2.279 -3.577 36.245 1.00 0.00 C ATOM 923 CD1 LEU A 59 3.066 -4.607 37.040 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.785 -3.748 36.479 1.00 0.00 C ATOM 0 H LEU A 59 2.691 -0.704 34.217 1.00 0.00 H new ATOM 0 HA LEU A 59 0.813 -1.184 36.450 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.731 -2.006 36.237 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.774 -2.091 37.702 1.00 0.00 H new ATOM 0 HG LEU A 59 2.481 -3.734 35.185 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.738 -5.609 36.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.129 -4.500 36.823 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.896 -4.451 38.105 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.488 -4.762 36.210 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.559 -3.571 37.530 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.236 -3.034 35.865 1.00 0.00 H new ATOM 936 N CYS A 60 1.757 0.728 37.777 1.00 0.00 N ATOM 937 CA CYS A 60 2.140 1.986 38.407 1.00 0.00 C ATOM 938 C CYS A 60 3.525 1.878 39.039 1.00 0.00 C ATOM 939 O CYS A 60 3.971 0.789 39.399 1.00 0.00 O ATOM 940 CB CYS A 60 1.112 2.382 39.469 1.00 0.00 C ATOM 941 SG CYS A 60 -0.617 2.275 38.907 1.00 0.00 S ATOM 0 H CYS A 60 1.027 0.215 38.271 1.00 0.00 H new ATOM 0 HA CYS A 60 2.171 2.756 37.636 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.240 1.740 40.340 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.315 3.403 39.793 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.896 1.045 38.593 1.00 0.00 H new ATOM 946 N SER A 61 4.200 3.016 39.169 1.00 0.00 N ATOM 947 CA SER A 61 5.535 3.050 39.754 1.00 0.00 C ATOM 948 C SER A 61 5.469 2.886 41.269 1.00 0.00 C ATOM 949 O SER A 61 6.485 2.971 41.960 1.00 0.00 O ATOM 950 CB SER A 61 6.236 4.364 39.402 1.00 0.00 C ATOM 951 OG SER A 61 7.621 4.297 39.693 1.00 0.00 O ATOM 0 H SER A 61 3.844 3.926 38.877 1.00 0.00 H new ATOM 0 HA SER A 61 6.107 2.219 39.341 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.094 4.584 38.344 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.783 5.183 39.961 1.00 0.00 H new ATOM 0 HG SER A 61 8.124 4.163 38.863 1.00 0.00 H new ATOM 957 N LYS A 62 4.266 2.649 41.780 1.00 0.00 N ATOM 958 CA LYS A 62 4.064 2.471 43.213 1.00 0.00 C ATOM 959 C LYS A 62 4.295 1.019 43.619 1.00 0.00 C ATOM 960 O LYS A 62 4.656 0.733 44.761 1.00 0.00 O ATOM 961 CB LYS A 62 2.650 2.903 43.608 1.00 0.00 C ATOM 962 CG LYS A 62 2.539 4.378 43.954 1.00 0.00 C ATOM 963 CD LYS A 62 1.096 4.785 44.203 1.00 0.00 C ATOM 964 CE LYS A 62 0.549 4.152 45.473 1.00 0.00 C ATOM 965 NZ LYS A 62 -0.691 4.831 45.941 1.00 0.00 N ATOM 0 H LYS A 62 3.415 2.576 41.222 1.00 0.00 H new ATOM 0 HA LYS A 62 4.788 3.096 43.736 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.968 2.678 42.788 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.324 2.312 44.464 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.136 4.591 44.841 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.951 4.975 43.141 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.031 5.870 44.279 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.481 4.488 43.353 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.340 3.098 45.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.306 4.197 46.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.033 4.370 46.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.486 5.831 46.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.422 4.766 45.204 1.00 0.00 H new ATOM 979 N HIS A 63 4.085 0.105 42.677 1.00 0.00 N ATOM 980 CA HIS A 63 4.273 -1.318 42.936 1.00 0.00 C ATOM 981 C HIS A 63 5.741 -1.708 42.791 1.00 0.00 C ATOM 982 O HIS A 63 6.142 -2.807 43.173 1.00 0.00 O ATOM 983 CB HIS A 63 3.416 -2.149 41.981 1.00 0.00 C ATOM 984 CG HIS A 63 2.012 -1.646 41.844 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.131 -1.575 42.903 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.337 -1.187 40.764 1.00 0.00 C ATOM 987 CE1 HIS A 63 -0.024 -1.095 42.480 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.074 -0.851 41.186 1.00 0.00 N ATOM 0 H HIS A 63 3.785 0.324 41.727 1.00 0.00 H new ATOM 0 HA HIS A 63 3.962 -1.520 43.961 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.887 -2.159 40.998 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.391 -3.180 42.333 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.339 -1.850 43.863 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.720 -1.101 39.758 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.900 -0.930 43.089 1.00 0.00 H new ATOM 996 N PHE A 64 6.537 -0.799 42.237 1.00 0.00 N ATOM 997 CA PHE A 64 7.961 -1.049 42.040 1.00 0.00 C ATOM 998 C PHE A 64 8.789 -0.343 43.110 1.00 0.00 C ATOM 999 O PHE A 64 8.423 0.732 43.584 1.00 0.00 O ATOM 1000 CB PHE A 64 8.395 -0.579 40.650 1.00 0.00 C ATOM 1001 CG PHE A 64 7.768 -1.361 39.531 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.453 -1.131 39.160 1.00 0.00 C ATOM 1003 CD2 PHE A 64 8.494 -2.324 38.849 1.00 0.00 C ATOM 1004 CE1 PHE A 64 5.874 -1.849 38.131 1.00 0.00 C ATOM 1005 CE2 PHE A 64 7.920 -3.045 37.819 1.00 0.00 C ATOM 1006 CZ PHE A 64 6.608 -2.806 37.459 1.00 0.00 C ATOM 0 H PHE A 64 6.221 0.116 41.917 1.00 0.00 H new ATOM 0 HA PHE A 64 8.132 -2.122 42.122 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.139 0.474 40.535 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.480 -0.654 40.572 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.874 -0.382 39.681 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.521 -2.514 39.126 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.847 -1.662 37.853 1.00 0.00 H new ATOM 0 HE2 PHE A 64 8.496 -3.794 37.296 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.157 -3.367 36.653 1.00 0.00 H new ATOM 1016 N GLU A 65 9.908 -0.957 43.484 1.00 0.00 N ATOM 1017 CA GLU A 65 10.787 -0.388 44.498 1.00 0.00 C ATOM 1018 C GLU A 65 11.417 0.911 44.005 1.00 0.00 C ATOM 1019 O GLU A 65 12.118 1.596 44.751 1.00 0.00 O ATOM 1020 CB GLU A 65 11.883 -1.388 44.874 1.00 0.00 C ATOM 1021 CG GLU A 65 11.460 -2.381 45.944 1.00 0.00 C ATOM 1022 CD GLU A 65 12.570 -3.345 46.317 1.00 0.00 C ATOM 1023 OE1 GLU A 65 13.523 -3.488 45.524 1.00 0.00 O ATOM 1024 OE2 GLU A 65 12.484 -3.955 47.403 1.00 0.00 O ATOM 0 H GLU A 65 10.226 -1.847 43.100 1.00 0.00 H new ATOM 0 HA GLU A 65 10.186 -0.169 45.381 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.185 -1.935 43.981 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.758 -0.841 45.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.142 -1.837 46.834 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.597 -2.945 45.590 1.00 0.00 H new ATOM 1031 N ALA A 66 11.163 1.244 42.744 1.00 0.00 N ATOM 1032 CA ALA A 66 11.703 2.461 42.152 1.00 0.00 C ATOM 1033 C ALA A 66 13.184 2.302 41.824 1.00 0.00 C ATOM 1034 O ALA A 66 13.623 2.624 40.720 1.00 0.00 O ATOM 1035 CB ALA A 66 11.491 3.643 43.087 1.00 0.00 C ATOM 0 H ALA A 66 10.586 0.688 42.113 1.00 0.00 H new ATOM 0 HA ALA A 66 11.170 2.649 41.220 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.899 4.545 42.631 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.424 3.778 43.267 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.997 3.453 44.034 1.00 0.00 H new ATOM 1041 N SER A 67 13.949 1.805 42.791 1.00 0.00 N ATOM 1042 CA SER A 67 15.382 1.608 42.606 1.00 0.00 C ATOM 1043 C SER A 67 15.656 0.719 41.397 1.00 0.00 C ATOM 1044 O SER A 67 16.780 0.664 40.896 1.00 0.00 O ATOM 1045 CB SER A 67 15.998 0.985 43.861 1.00 0.00 C ATOM 1046 OG SER A 67 16.563 1.979 44.698 1.00 0.00 O ATOM 0 H SER A 67 13.601 1.532 43.710 1.00 0.00 H new ATOM 0 HA SER A 67 15.839 2.582 42.430 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.234 0.434 44.410 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.766 0.266 43.575 1.00 0.00 H new ATOM 0 HG SER A 67 16.948 1.556 45.494 1.00 0.00 H new ATOM 1052 N CYS A 68 14.622 0.026 40.933 1.00 0.00 N ATOM 1053 CA CYS A 68 14.751 -0.861 39.782 1.00 0.00 C ATOM 1054 C CYS A 68 14.661 -0.076 38.478 1.00 0.00 C ATOM 1055 O CYS A 68 14.701 -0.652 37.390 1.00 0.00 O ATOM 1056 CB CYS A 68 13.666 -1.938 39.819 1.00 0.00 C ATOM 1057 SG CYS A 68 13.093 -2.352 41.483 1.00 0.00 S ATOM 0 H CYS A 68 13.686 0.061 41.336 1.00 0.00 H new ATOM 0 HA CYS A 68 15.729 -1.339 39.830 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.815 -1.602 39.227 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.049 -2.841 39.343 1.00 0.00 H new ATOM 0 HG CYS A 68 12.175 -3.270 41.410 1.00 0.00 H new ATOM 1063 N PHE A 69 14.539 1.242 38.594 1.00 0.00 N ATOM 1064 CA PHE A 69 14.441 2.107 37.423 1.00 0.00 C ATOM 1065 C PHE A 69 15.827 2.480 36.905 1.00 0.00 C ATOM 1066 O PHE A 69 16.841 2.011 37.421 1.00 0.00 O ATOM 1067 CB PHE A 69 13.653 3.374 37.764 1.00 0.00 C ATOM 1068 CG PHE A 69 12.168 3.160 37.819 1.00 0.00 C ATOM 1069 CD1 PHE A 69 11.623 2.210 38.668 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.316 3.910 37.024 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.256 2.010 38.720 1.00 0.00 C ATOM 1072 CE2 PHE A 69 9.949 3.715 37.073 1.00 0.00 C ATOM 1073 CZ PHE A 69 9.418 2.765 37.923 1.00 0.00 C ATOM 0 H PHE A 69 14.506 1.735 39.486 1.00 0.00 H new ATOM 0 HA PHE A 69 13.915 1.560 36.640 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.993 3.755 38.727 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.874 4.141 37.021 1.00 0.00 H new ATOM 0 HD1 PHE A 69 12.273 1.619 39.296 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.725 4.656 36.358 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.844 1.264 39.383 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.296 4.305 36.447 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.350 2.613 37.964 1.00 0.00 H new ATOM 1083 N ASP A 70 15.861 3.325 35.881 1.00 0.00 N ATOM 1084 CA ASP A 70 17.121 3.762 35.291 1.00 0.00 C ATOM 1085 C ASP A 70 17.469 5.178 35.741 1.00 0.00 C ATOM 1086 O ASP A 70 17.619 6.083 34.919 1.00 0.00 O ATOM 1087 CB ASP A 70 17.042 3.704 33.765 1.00 0.00 C ATOM 1088 CG ASP A 70 18.399 3.492 33.123 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.174 4.468 33.038 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.686 2.351 32.706 1.00 0.00 O ATOM 0 H ASP A 70 15.030 3.721 35.442 1.00 0.00 H new ATOM 0 HA ASP A 70 17.907 3.088 35.632 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.373 2.896 33.469 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.607 4.631 33.391 1.00 0.00 H new ATOM 1095 N LEU A 71 17.596 5.362 37.051 1.00 0.00 N ATOM 1096 CA LEU A 71 17.926 6.668 37.611 1.00 0.00 C ATOM 1097 C LEU A 71 19.429 6.802 37.832 1.00 0.00 C ATOM 1098 O LEU A 71 19.993 7.890 37.704 1.00 0.00 O ATOM 1099 CB LEU A 71 17.184 6.881 38.931 1.00 0.00 C ATOM 1100 CG LEU A 71 17.186 5.698 39.900 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.017 6.181 41.332 1.00 0.00 C ATOM 1102 CD2 LEU A 71 16.088 4.709 39.536 1.00 0.00 C ATOM 0 H LEU A 71 17.476 4.624 37.745 1.00 0.00 H new ATOM 0 HA LEU A 71 17.613 7.431 36.898 1.00 0.00 H new ATOM 0 HB2 LEU A 71 17.624 7.740 39.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.149 7.139 38.706 1.00 0.00 H new ATOM 0 HG LEU A 71 18.147 5.189 39.821 1.00 0.00 H new ATOM 0 HD11 LEU A 71 17.021 5.325 42.007 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.838 6.850 41.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.071 6.714 41.427 1.00 0.00 H new ATOM 0 HD21 LEU A 71 16.104 3.874 40.236 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.119 5.206 39.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.253 4.338 38.524 1.00 0.00 H new ATOM 1152 N THR A 75 17.408 10.872 35.010 1.00 0.00 N ATOM 1153 CA THR A 75 16.032 10.469 34.745 1.00 0.00 C ATOM 1154 C THR A 75 15.628 9.288 35.619 1.00 0.00 C ATOM 1155 O THR A 75 16.178 9.087 36.702 1.00 0.00 O ATOM 1156 CB THR A 75 15.832 10.091 33.266 1.00 0.00 C ATOM 1157 OG1 THR A 75 14.436 9.961 32.978 1.00 0.00 O ATOM 1158 CG2 THR A 75 16.546 8.788 32.939 1.00 0.00 C ATOM 0 HA THR A 75 15.401 11.325 34.981 1.00 0.00 H new ATOM 0 HB THR A 75 16.257 10.884 32.651 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.317 9.722 32.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 16.390 8.541 31.889 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.613 8.900 33.131 1.00 0.00 H new ATOM 0 HG23 THR A 75 16.147 7.988 33.562 1.00 0.00 H new ATOM 1166 N ARG A 76 14.664 8.507 35.142 1.00 0.00 N ATOM 1167 CA ARG A 76 14.186 7.345 35.881 1.00 0.00 C ATOM 1168 C ARG A 76 13.289 6.475 35.005 1.00 0.00 C ATOM 1169 O ARG A 76 12.064 6.590 35.046 1.00 0.00 O ATOM 1170 CB ARG A 76 13.421 7.788 37.130 1.00 0.00 C ATOM 1171 CG ARG A 76 13.316 6.707 38.194 1.00 0.00 C ATOM 1172 CD ARG A 76 13.191 7.306 39.586 1.00 0.00 C ATOM 1173 NE ARG A 76 11.837 7.174 40.120 1.00 0.00 N ATOM 1174 CZ ARG A 76 11.483 7.580 41.333 1.00 0.00 C ATOM 1175 NH1 ARG A 76 12.377 8.142 42.135 1.00 0.00 N ATOM 1176 NH2 ARG A 76 10.232 7.425 41.747 1.00 0.00 N ATOM 0 H ARG A 76 14.199 8.658 34.247 1.00 0.00 H new ATOM 0 HA ARG A 76 15.052 6.756 36.183 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.915 8.661 37.558 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.418 8.100 36.840 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.451 6.076 37.989 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.196 6.065 38.150 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.895 6.814 40.257 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.466 8.360 39.553 1.00 0.00 H new ATOM 0 HE ARG A 76 11.125 6.746 39.528 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.340 8.263 41.820 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.102 8.453 43.067 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.541 6.993 41.133 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.961 7.737 42.679 1.00 0.00 H new ATOM 1190 N ARG A 77 13.908 5.606 34.213 1.00 0.00 N ATOM 1191 CA ARG A 77 13.167 4.718 33.326 1.00 0.00 C ATOM 1192 C ARG A 77 13.176 3.287 33.856 1.00 0.00 C ATOM 1193 O ARG A 77 14.236 2.724 34.135 1.00 0.00 O ATOM 1194 CB ARG A 77 13.763 4.755 31.917 1.00 0.00 C ATOM 1195 CG ARG A 77 13.731 6.134 31.278 1.00 0.00 C ATOM 1196 CD ARG A 77 14.182 6.085 29.827 1.00 0.00 C ATOM 1197 NE ARG A 77 13.267 6.806 28.945 1.00 0.00 N ATOM 1198 CZ ARG A 77 13.184 6.589 27.637 1.00 0.00 C ATOM 1199 NH1 ARG A 77 13.957 5.678 27.062 1.00 0.00 N ATOM 1200 NH2 ARG A 77 12.327 7.285 26.902 1.00 0.00 N ATOM 0 H ARG A 77 14.921 5.498 34.168 1.00 0.00 H new ATOM 0 HA ARG A 77 12.135 5.066 33.286 1.00 0.00 H new ATOM 0 HB2 ARG A 77 14.795 4.407 31.959 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.217 4.057 31.282 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.720 6.538 31.333 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.376 6.811 31.838 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.180 6.514 29.743 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.254 5.046 29.504 1.00 0.00 H new ATOM 0 HE ARG A 77 12.659 7.514 29.356 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.618 5.141 27.624 1.00 0.00 H new ATOM 0 HH12 ARG A 77 13.891 5.514 26.057 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.731 7.987 27.341 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.264 7.118 25.898 1.00 0.00 H new ATOM 1214 N LEU A 78 11.990 2.705 33.994 1.00 0.00 N ATOM 1215 CA LEU A 78 11.861 1.340 34.492 1.00 0.00 C ATOM 1216 C LEU A 78 12.735 0.383 33.688 1.00 0.00 C ATOM 1217 O LEU A 78 12.498 0.155 32.502 1.00 0.00 O ATOM 1218 CB LEU A 78 10.401 0.890 34.430 1.00 0.00 C ATOM 1219 CG LEU A 78 10.063 -0.398 35.183 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.000 -1.521 34.767 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.133 -0.171 36.686 1.00 0.00 C ATOM 0 H LEU A 78 11.104 3.157 33.768 1.00 0.00 H new ATOM 0 HA LEU A 78 12.196 1.324 35.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.777 1.692 34.825 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.126 0.758 33.383 1.00 0.00 H new ATOM 0 HG LEU A 78 9.044 -0.689 34.927 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.744 -2.429 35.313 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.900 -1.701 33.697 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.028 -1.239 34.993 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.890 -1.098 37.206 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.140 0.145 36.960 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.420 0.603 36.971 1.00 0.00 H new ATOM 1233 N LYS A 79 13.746 -0.178 34.343 1.00 0.00 N ATOM 1234 CA LYS A 79 14.655 -1.114 33.692 1.00 0.00 C ATOM 1235 C LYS A 79 13.902 -2.341 33.188 1.00 0.00 C ATOM 1236 O LYS A 79 13.061 -2.898 33.892 1.00 0.00 O ATOM 1237 CB LYS A 79 15.759 -1.543 34.662 1.00 0.00 C ATOM 1238 CG LYS A 79 16.793 -0.462 34.923 1.00 0.00 C ATOM 1239 CD LYS A 79 17.657 -0.796 36.127 1.00 0.00 C ATOM 1240 CE LYS A 79 18.441 -2.081 35.910 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.376 -1.973 34.756 1.00 0.00 N ATOM 0 H LYS A 79 13.957 -0.000 35.325 1.00 0.00 H new ATOM 0 HA LYS A 79 15.106 -0.609 32.838 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.305 -1.836 35.609 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.260 -2.424 34.262 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.425 -0.341 34.043 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.291 0.491 35.088 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.348 0.025 36.320 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.028 -0.897 37.011 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.004 -2.319 36.812 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.748 -2.905 35.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.042 -2.772 34.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.835 -1.992 33.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.905 -1.080 34.820 1.00 0.00 H new ATOM 1255 N MET A 80 14.212 -2.758 31.964 1.00 0.00 N ATOM 1256 CA MET A 80 13.565 -3.921 31.367 1.00 0.00 C ATOM 1257 C MET A 80 13.911 -5.191 32.139 1.00 0.00 C ATOM 1258 O MET A 80 13.368 -6.261 31.866 1.00 0.00 O ATOM 1259 CB MET A 80 13.986 -4.069 29.904 1.00 0.00 C ATOM 1260 CG MET A 80 14.355 -2.752 29.241 1.00 0.00 C ATOM 1261 SD MET A 80 14.388 -2.865 27.442 1.00 0.00 S ATOM 1262 CE MET A 80 14.978 -4.542 27.218 1.00 0.00 C ATOM 0 H MET A 80 14.906 -2.308 31.367 1.00 0.00 H new ATOM 0 HA MET A 80 12.486 -3.771 31.414 1.00 0.00 H new ATOM 0 HB2 MET A 80 14.838 -4.746 29.847 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.172 -4.532 29.346 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.639 -1.986 29.540 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.333 -2.431 29.599 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.321 -4.673 26.192 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.804 -4.732 27.903 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.169 -5.243 27.423 1.00 0.00 H new ATOM 1272 N ASP A 81 14.817 -5.064 33.102 1.00 0.00 N ATOM 1273 CA ASP A 81 15.234 -6.202 33.914 1.00 0.00 C ATOM 1274 C ASP A 81 14.716 -6.069 35.342 1.00 0.00 C ATOM 1275 O ASP A 81 15.237 -6.697 36.263 1.00 0.00 O ATOM 1276 CB ASP A 81 16.759 -6.319 33.920 1.00 0.00 C ATOM 1277 CG ASP A 81 17.238 -7.670 33.428 1.00 0.00 C ATOM 1278 OD1 ASP A 81 17.110 -7.939 32.215 1.00 0.00 O ATOM 1279 OD2 ASP A 81 17.740 -8.460 34.255 1.00 0.00 O ATOM 0 H ASP A 81 15.277 -4.185 33.340 1.00 0.00 H new ATOM 0 HA ASP A 81 14.810 -7.105 33.476 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.183 -5.536 33.292 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.129 -6.152 34.931 1.00 0.00 H new ATOM 1284 N ALA A 82 13.686 -5.247 35.519 1.00 0.00 N ATOM 1285 CA ALA A 82 13.097 -5.033 36.835 1.00 0.00 C ATOM 1286 C ALA A 82 11.811 -5.836 36.997 1.00 0.00 C ATOM 1287 O ALA A 82 11.304 -6.416 36.037 1.00 0.00 O ATOM 1288 CB ALA A 82 12.829 -3.552 37.058 1.00 0.00 C ATOM 0 H ALA A 82 13.243 -4.719 34.767 1.00 0.00 H new ATOM 0 HA ALA A 82 13.808 -5.379 37.586 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.389 -3.406 38.045 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.766 -2.999 36.993 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.140 -3.188 36.296 1.00 0.00 H new ATOM 1294 N VAL A 83 11.287 -5.865 38.219 1.00 0.00 N ATOM 1295 CA VAL A 83 10.059 -6.597 38.507 1.00 0.00 C ATOM 1296 C VAL A 83 9.414 -6.102 39.796 1.00 0.00 C ATOM 1297 O VAL A 83 10.084 -5.616 40.708 1.00 0.00 O ATOM 1298 CB VAL A 83 10.322 -8.110 38.625 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.822 -8.838 37.387 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.803 -8.377 38.849 1.00 0.00 C ATOM 0 H VAL A 83 11.694 -5.390 39.025 1.00 0.00 H new ATOM 0 HA VAL A 83 9.381 -6.418 37.673 1.00 0.00 H new ATOM 0 HB VAL A 83 9.773 -8.490 39.486 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.017 -9.906 37.489 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.750 -8.674 37.276 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.340 -8.457 36.507 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.971 -9.451 38.930 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.375 -7.983 38.009 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.126 -7.889 39.769 1.00 0.00 H new ATOM 1310 N PRO A 84 8.081 -6.227 39.877 1.00 0.00 N ATOM 1311 CA PRO A 84 7.315 -5.798 41.051 1.00 0.00 C ATOM 1312 C PRO A 84 7.570 -6.686 42.265 1.00 0.00 C ATOM 1313 O PRO A 84 6.904 -7.704 42.454 1.00 0.00 O ATOM 1314 CB PRO A 84 5.861 -5.925 40.592 1.00 0.00 C ATOM 1315 CG PRO A 84 5.892 -6.956 39.517 1.00 0.00 C ATOM 1316 CD PRO A 84 7.219 -6.796 38.828 1.00 0.00 C ATOM 0 HA PRO A 84 7.589 -4.793 41.371 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.212 -6.229 41.413 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.479 -4.975 40.218 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.787 -7.958 39.934 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.069 -6.814 38.817 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.602 -7.750 38.467 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.146 -6.135 37.965 1.00 0.00 H new ATOM 1324 N THR A 85 8.540 -6.294 43.086 1.00 0.00 N ATOM 1325 CA THR A 85 8.883 -7.054 44.281 1.00 0.00 C ATOM 1326 C THR A 85 7.765 -6.988 45.315 1.00 0.00 C ATOM 1327 O THR A 85 7.778 -7.720 46.304 1.00 0.00 O ATOM 1328 CB THR A 85 10.188 -6.540 44.918 1.00 0.00 C ATOM 1329 OG1 THR A 85 10.163 -5.110 44.999 1.00 0.00 O ATOM 1330 CG2 THR A 85 11.397 -6.987 44.111 1.00 0.00 C ATOM 0 H THR A 85 9.102 -5.454 42.945 1.00 0.00 H new ATOM 0 HA THR A 85 9.023 -8.089 43.968 1.00 0.00 H new ATOM 0 HB THR A 85 10.267 -6.959 45.921 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.904 -4.740 44.475 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.307 -6.612 44.580 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.429 -8.076 44.076 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.323 -6.594 43.097 1.00 0.00 H new ATOM 1338 N ILE A 86 6.799 -6.106 45.079 1.00 0.00 N ATOM 1339 CA ILE A 86 5.672 -5.946 45.990 1.00 0.00 C ATOM 1340 C ILE A 86 4.349 -5.951 45.233 1.00 0.00 C ATOM 1341 O ILE A 86 4.305 -6.248 44.039 1.00 0.00 O ATOM 1342 CB ILE A 86 5.783 -4.640 46.799 1.00 0.00 C ATOM 1343 CG1 ILE A 86 5.507 -3.433 45.901 1.00 0.00 C ATOM 1344 CG2 ILE A 86 7.160 -4.528 47.438 1.00 0.00 C ATOM 1345 CD1 ILE A 86 6.705 -2.527 45.721 1.00 0.00 C ATOM 0 H ILE A 86 6.774 -5.492 44.265 1.00 0.00 H new ATOM 0 HA ILE A 86 5.698 -6.792 46.677 1.00 0.00 H new ATOM 0 HB ILE A 86 5.036 -4.657 47.592 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.178 -3.785 44.923 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.685 -2.856 46.325 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.223 -3.600 48.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.321 -5.374 48.106 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.923 -4.530 46.660 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.436 -1.693 45.073 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.021 -2.145 46.692 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.522 -3.089 45.269 1.00 0.00 H new ATOM 1357 N PHE A 87 3.271 -5.619 45.936 1.00 0.00 N ATOM 1358 CA PHE A 87 1.944 -5.584 45.330 1.00 0.00 C ATOM 1359 C PHE A 87 0.861 -5.483 46.400 1.00 0.00 C ATOM 1360 O PHE A 87 -0.240 -4.998 46.139 1.00 0.00 O ATOM 1361 CB PHE A 87 1.718 -6.833 44.475 1.00 0.00 C ATOM 1362 CG PHE A 87 1.806 -6.572 42.999 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.207 -5.453 42.442 1.00 0.00 C ATOM 1364 CD2 PHE A 87 2.488 -7.445 42.167 1.00 0.00 C ATOM 1365 CE1 PHE A 87 1.286 -5.211 41.084 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.570 -7.209 40.808 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.969 -6.090 40.266 1.00 0.00 C ATOM 0 H PHE A 87 3.290 -5.370 46.925 1.00 0.00 H new ATOM 0 HA PHE A 87 1.885 -4.701 44.694 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.455 -7.588 44.747 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.737 -7.248 44.705 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.672 -4.762 43.077 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.961 -8.321 42.586 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.814 -4.336 40.663 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.103 -7.899 40.171 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.033 -5.902 39.204 1.00 0.00 H new